methyl (4S)-4-cyano-4-(2-methylpropanoylamino)-5-oxidanyl-pentanoate

Systemtic Name: methyl (4S)-4-cyano-4-(2-methylpropanoylamino)-5-oxidanyl-pentanoate Openeye Name: methyl (4S)-4-cyano-5-hydroxy-4-(2-methylpropanoylamino)pentanoate CAS Name: (4S)-4-cyano-5-hydroxy-4-[(2-methyl-1-oxopropyl)amino]pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-cyano-5-hydroxy-4-(2-methylpropanoylamino)pentanoate Traditional Name: (4S)-4-cyano-5-hydroxy-4-(isobutyrylamino)valeric acid methyl ester Formula: C11H18N2O4 MolecularWeight: 242.27162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CCC(=O)OC)(CO)C#N

Isomeric SMILES

CC(C)C(=O)N[C@](CCC(=O)OC)(CO)C#N

InChI

InChI=1S/C11H18N2O4/c1-8(2)10(16)13-11(6-12,7-14)5-4-9(15)17-3/h8,14H,4-5,7H2,1-3H3,(H,13,16)/t11-/m0/s1